The band structure and the charge density variation in the DOS spectrum clearly reveal that silicene nanosheet can be employed as a substrate to probe the presence of volatiles released from pear fruit [1]}, [2]}, [3]}, [4]}, [5]}, [6]}. Figures REF –REF  exemplifies the band gap structure and DOS-spectrum for positions R1–R3 for the volatiles emitted in the ripened stage and figures REF –REF  represents the positions O1–O3 for the volatiles emitted in the over-ripened stage of pear fruit. Moreover, the energy band gap gets modulated to 0.41, 0.43 and 0.40 eV, respectively upon adsorption of butyl acetate, butyl butyrate and hexyl acetate on silicene nanosheet. Why does the energy gap of Si-NS get modulated upon the interaction of volatiles? The modulation of the energy gap in silicene takes place due to the interaction of ester molecules that leads to the orbital overlapping with Si atoms in the BSi sheet. Hence, the deviation in the band gap is perceived. Furthermore, the peak maxima in the DOS spectrum for different energy intervals vary, which is advocated due to the orbital overlapping and charge transfer between the pear fruit volatiles and BSi material.
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